BW2KS0 -OEChem-04022102133D 60 62 0 1 0 0 0 0 0999 V2000 0.6988 2.1594 -2.2145 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2580 -0.5737 -0.4433 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0336 -1.6808 -1.4796 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6749 -1.0122 1.0821 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9435 -0.4385 0.2047 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7902 -0.0403 0.1395 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3764 -0.5444 0.9217 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 0.2919 -0.1716 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4513 -0.6637 0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1111 1.7284 0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8248 -1.3334 0.9393 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2704 -1.1189 0.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9795 -0.0248 1.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 2.5996 -0.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9008 -2.0344 -0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1788 2.1963 1.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2402 -1.8560 -0.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3189 0.1535 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9492 -0.7621 -0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 -1.0109 -0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4947 3.9385 -0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3258 0.9684 1.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9046 3.5354 1.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 4.4067 0.6635 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8988 -2.8462 -1.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8782 -1.2498 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8074 -2.1688 -0.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 3.1183 -3.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9199 -1.9792 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2321 -1.1703 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2557 -2.5878 0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2795 0.0834 -1.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7283 -1.6995 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5758 -0.5520 1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6998 -1.2107 2.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5517 -2.3766 0.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0533 -0.5897 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2455 0.4318 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3492 -2.8877 -0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4502 1.5388 2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8799 1.0035 1.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2228 4.6728 -1.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9544 0.4864 2.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5037 1.4810 1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0312 1.7434 2.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9587 3.9002 2.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3493 5.4492 0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5011 -3.5493 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5402 -2.3468 -2.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1604 -3.4220 -2.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6902 -2.8670 -1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 2.5963 -4.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0881 3.9162 -3.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6703 3.5063 -3.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2220 -0.9741 -0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1835 -0.7269 1.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0884 -2.2531 0.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4437 -3.0604 1.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3569 -3.3533 -0.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0272 -1.8303 0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 28 1 0 0 0 0 2 19 1 0 0 0 0 2 30 1 0 0 0 0 3 20 2 0 0 0 0 4 7 1 0 0 0 0 4 29 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 37 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 38 1 0 0 0 0 7 26 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 14 1 0 0 0 0 10 16 2 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 18 1 0 0 0 0 13 22 1 0 0 0 0 14 21 2 0 0 0 0 15 17 2 0 0 0 0 15 39 1 0 0 0 0 16 23 1 0 0 0 0 16 40 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 20 26 1 0 0 0 0 21 24 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 27 29 2 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 31 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 M END $$$$